Variationally Determined Occupation "Numbers" in an Extended Thomas-Fermi Scheme
Keyword(s):
Abstract Thomas-Fermi theory is generalized by the introduction of an occupation distribution function f(s). The ansatz f(s) = Ɵ (s1 - s) of the conventional TF theory is derived from a variational principle. The implications with respect to the density functional theory are discussed. Future work is intended to include interaction, leading to deviations from the step function, which will account for correlation effects.
2019 ◽
Vol 75
(2)
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pp. 201-209
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Keyword(s):
2003 ◽
Vol 118
(3)
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pp. 1044-1053
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2015 ◽
Vol 17
(34)
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pp. 22448-22454
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